Kinetic modeling of Fischer–Tropsch‐to‐olefins process via advanced optimization

The reaction kinetics of a Fischer–Tropsch (FT) process to produce lower olefins was modeled utilizing the experimental data produced using an in‐house synthesized iron‐based catalyst. Along with FT chain growth reaction that is assumed to follow alkyl mechanism, water–gas shift reaction was also ta...

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Bibliographic Details
Published in:International journal of chemical kinetics 2022-01, Vol.54 (1), p.3-15
Main Authors: Turan, Abdullah Zahid, Ataç, Özlem, Kurucu, Oğuz Alp, Ersöz, Atilla, Sarıoğlan, Alper, Okutan, Hasancan
Format: Article
Language:English
Subjects:
advanced optimization
Alkenes
Chemical synthesis
Fischer–Tropsch
Genetic algorithms
kinetics
multiobjective generic algorithm
Optimization
Process parameters
Rate constants
Reaction kinetics
Shift reaction
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Summary:The reaction kinetics of a Fischer–Tropsch (FT) process to produce lower olefins was modeled utilizing the experimental data produced using an in‐house synthesized iron‐based catalyst. Along with FT chain growth reaction that is assumed to follow alkyl mechanism, water–gas shift reaction was also taken into consideration due to its significance. Not only the rate constants but also apparent activation energies were obtained via an integrated approach utilizing multiobjective and constrained nonlinear minimization methods in order to define a model valid at a temperature range instead of a single point. The adaption of a hybrid optimization method utilizing both population‐ and individual‐based techniques enhanced prediction accuracy compared with the case where only multiobjective genetic algorithm is used. Thanks to the developed model, the effect of process parameters on product distribution was investigated. Finally, the kinetic model was compared with Anderson–Schulz–Flory model and the deviations observed were discussed.
ISSN:0538-8066
1097-4601
DOI:10.1002/kin.21536